[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone

C23H35N3O3 — CID 22649552

IUPAC[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCCN(C1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C23H35N3O3/c1-2-9-26(21-5-3-18-4-6-22(27)17-19(18)16-21)20-7-10-24(11-8-20)23(28)25-12-14-29-15-13-25/h4,6,17,20-21,27H,2-3,5,7-16H2,1H3
InChIKeyWIZBPGQGGFWYSG-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.88
Rot. Bonds4

About [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 22649552) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID22649552
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCCN(C1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C23H35N3O3/c1-2-9-26(21-5-3-18-4-6-22(27)17-19(18)16-21)20-7-10-24(11-8-20)23(28)25-12-14-29-15-13-25/h4,6,17,20-21,27H,2-3,5,7-16H2,1H3
InChIKeyWIZBPGQGGFWYSG-UHFFFAOYSA-N
XLogP2.88
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone (CID 22649552) is [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone is CCCN(C1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WIZBPGQGGFWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-2-9-26(21-5-3-18-4-6-22(27)17-19(18)16-21)20-7-10-24(11-8-20)23(28)25-12-14-29-15-13-25/h4,6,17,20-21,27H,2-3,5,7-16H2,1H3.
What are the key properties of [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 401.55 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22649552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).